4-(4-Hydroxy-1-piperidyl)benzotrifluoride - CAS 681508-70-3

Catalog:	BB033483
Product Name:	4-(4-Hydroxy-1-piperidyl)benzotrifluoride
CAS:	681508-70-3
Synonyms:	1-[4-(trifluoromethyl)phenyl]-4-piperidinol; 1-[4-(trifluoromethyl)phenyl]piperidin-4-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[4-(trifluoromethyl)phenyl]piperidin-4-ol
Description:	4-(4-Hydroxy-1-piperidyl)benzotrifluoride (CAS# 681508-70-3 ) is a useful research chemical.
Molecular Weight:	245.24
Molecular Formula:	C12H14F3NO
Canonical SMILES:	C1CN(CCC1O)C2=CC=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C12H14F3NO/c13-12(14,15)9-1-3-10(4-2-9)16-7-5-11(17)6-8-16/h1-4,11,17H,5-8H2
InChI Key:	KKEZLXOOIIFZGD-UHFFFAOYSA-N
Boiling Point:	334.3 °C at 760 mmHg
Density:	1.275 g/cm³
MDL:	MFCD05864752
LogP:	2.73150

Publication Number	Title	Priority Date
WO-2021096496-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20191112
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
US-2019345122-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20180508
US-2020147581-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20180508
CN-112262128-A	Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction	20180508

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Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.10274856
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	245.10274856
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8